2-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindol-5-yl]carbonylamino]-5-bromanyl-benzoate

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindol-5-yl]carbonylamino]-5-bromanyl-benzoate Openeye Name: 2-[(2-benzyl-1,3-dioxo-isoindoline-5-carbonyl)amino]-5-bromo-benzoate CAS Name: 5-bromo-2-[[[1,3-dioxo-2-(phenylmethyl)-5-isoindolyl]-oxomethyl]amino]benzoate IUPAC Name: 2-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]-5-bromobenzoate Traditional Name: 2-[(2-benzyl-1,3-diketo-isoindoline-5-carbonyl)amino]-5-bromo-benzoate Formula: C23H14BrN2O5- MolecularWeight: 478.27166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)[O-]

InChI

InChI=1S/C23H15BrN2O5/c24-15-7-9-19(18(11-15)23(30)31)25-20(27)14-6-8-16-17(10-14)22(29)26(21(16)28)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,25,27)(H,30,31)/p-1